UCSF

ZINC33747140

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 8.62 -14.7 1 6 0 50 434.993 10
Mid Mid (pH 6-8) 2.51 10.89 -50.34 2 6 1 51 436.001 10
Lo Low (pH 4.5-6) 2.51 11.34 -101.54 3 6 2 52 437.009 10

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Analogs ( Draw Identity 99% 90% 80% 70% )